(6S)-6-methyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid

C15H13NO3 — CID 11242266

IUPAC(6S)-6-methyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
SMILESC[C@H]1Cc2ccccc2-c2cc(=O)c(C(=O)O)cn21
InChIInChI=1S/C15H13NO3/c1-9-6-10-4-2-3-5-11(10)13-7-14(17)12(15(18)19)8-16(9)13/h2-5,7-9H,6H2,1H3,(H,18,19)/t9-/m0/s1
InChIKeyWMJNBEIEVDGJDE-VIFPVBQESA-N
MW255.27 g/mol
LogP2.33
Rot. Bonds1

About (6S)-6-methyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid

(6S)-6-methyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid (PubChem CID 11242266) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is (6S)-6-methyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid.

Molecular Properties

Compound Name(6S)-6-methyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
PubChem CID11242266
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name(6S)-6-methyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
SMILESC[C@H]1Cc2ccccc2-c2cc(=O)c(C(=O)O)cn21
InChIInChI=1S/C15H13NO3/c1-9-6-10-4-2-3-5-11(10)13-7-14(17)12(15(18)19)8-16(9)13/h2-5,7-9H,6H2,1H3,(H,18,19)/t9-/m0/s1
InChIKeyWMJNBEIEVDGJDE-VIFPVBQESA-N
XLogP2.33
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6S)-6-methyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid?
The IUPAC name of (6S)-6-methyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid (CID 11242266) is (6S)-6-methyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid.
What is the SMILES notation for (6S)-6-methyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid?
The canonical SMILES for (6S)-6-methyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid is C[C@H]1Cc2ccccc2-c2cc(=O)c(C(=O)O)cn21.
What is the InChIKey of (6S)-6-methyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid?
The InChIKey is WMJNBEIEVDGJDE-VIFPVBQESA-N. The full InChI is InChI=1S/C15H13NO3/c1-9-6-10-4-2-3-5-11(10)13-7-14(17)12(15(18)19)8-16(9)13/h2-5,7-9H,6H2,1H3,(H,18,19)/t9-/m0/s1.
What are the key properties of (6S)-6-methyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid?
(6S)-6-methyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid has a molecular weight of 255.27 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-methyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid is sourced from PubChem (CID 11242266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).